(4R,6aR,9aS,9bR)-4-[(3E)-3-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]hexyl]-5-methyl-2-oxidanyl-8-phenyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione

Systemtic Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]hexyl]-5-methyl-2-oxidanyl-8-phenyl-1,4,6,6a,9a,9b-hexahydro-[1,2]oxaborinino[4,5-e]isoindole-7,9-dione Openeye Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(5-bromo-2-hydroxy-phenyl)methylene]hexyl]-2-hydroxy-5-methyl-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione CAS Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(5-bromo-2-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-5-methyl-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborino[4,5-e]isoindole-7,9-dione IUPAC Name: (4R,6aR,9aS,9bR)-4-[(3E)-3-[(5-bromo-2-hydroxyphenyl)methylidene]hexyl]-2-hydroxy-5-methyl-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborinino[4,5-e]isoindole-7,9-dione Traditional Name: (4R,6aR,9aS,9bR)-4-[(E)-4-(5-bromo-2-hydroxy-phenyl)-3-propyl-but-3-enyl]-2-hydroxy-5-methyl-8-phenyl-1,4,6,6a,9a,9b-hexahydrooxaborin[4,5-e]isoindole-7,9-quinone Formula: C30H33BBrNO5 MolecularWeight: 578.30172

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC2C3C(CC(=C2C(O1)CCC(=CC4=C(C=CC(=C4)Br)O)CCC)C)C(=O)N(C3=O)C5=CC=CC=C5)O

Isomeric SMILES

B1(C[C@@H]2[C@H]3[C@@H](CC(=C2[C@H](O1)CC/C(=C/C4=C(C=CC(=C4)Br)O)/CCC)C)C(=O)N(C3=O)C5=CC=CC=C5)O

InChI

InChI=1S/C30H33BBrNO5/c1-3-7-19(15-20-16-21(32)11-12-25(20)34)10-13-26-27-18(2)14-23-28(24(27)17-31(37)38-26)30(36)33(29(23)35)22-8-5-4-6-9-22/h4-6,8-9,11-12,15-16,23-24,26,28,34,37H,3,7,10,13-14,17H2,1-2H3/b19-15+/t23-,24+,26-,28-/m1/s1